Information card for entry 2019682

Structure parameters

• Chemical name: catena-poly[bis[μ~3~-(2-methylbenzimidazol-1-yl)acetato]cadmium(II)]
• Formula: C20 H18 Cd N4 O4
• Calculated formula: C20 H18 Cd N4 O4
• SMILES: [Cd]123([O]=C(O1)Cn1c(nc4ccccc14)C)([O]=C(O2)Cn1c(nc2ccccc12)C)[n]1c(C)n(c2ccccc12)CC1=[O][Cd]2(O1)[O]=C(O2)Cn1c([n]3c2ccccc12)C
• Title of publication: One- and two-dimensional Cd^II^ coordination polymers constructed from 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate ligands
• Authors of publication: Li, Qiang; Wang, Hui-Ting; Ye, Qiong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 992 - 997
• a: 14.7042 ± 0.0004 Å
• b: 14.0074 ± 0.0004 Å
• c: 37.95 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7816.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes